3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one

C21H21FN4O2S — CID 56539245

IUPAC3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one
SMILESCC(=O)c1ccc(N2CCN(Cn3c(-c4ccccn4)csc3=O)CC2)c(F)c1
InChIInChI=1S/C21H21FN4O2S/c1-15(27)16-5-6-19(17(22)12-16)25-10-8-24(9-11-25)14-26-20(13-29-21(26)28)18-4-2-3-7-23-18/h2-7,12-13H,8-11,14H2,1H3
InChIKeyNWIZRPHSNLCQNT-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.09
Rot. Bonds5

About 3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one

3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one (PubChem CID 56539245) has the molecular formula C21H21FN4O2S and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one
PubChem CID56539245
Molecular FormulaC21H21FN4O2S
Molecular Weight412.49 g/mol
Exact Mass412.14
IUPAC Name3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one
SMILESCC(=O)c1ccc(N2CCN(Cn3c(-c4ccccn4)csc3=O)CC2)c(F)c1
InChIInChI=1S/C21H21FN4O2S/c1-15(27)16-5-6-19(17(22)12-16)25-10-8-24(9-11-25)14-26-20(13-29-21(26)28)18-4-2-3-7-23-18/h2-7,12-13H,8-11,14H2,1H3
InChIKeyNWIZRPHSNLCQNT-UHFFFAOYSA-N
XLogP3.09
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one with MolForge

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Related Compounds

1-[3-fluoro-4-[4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]phenyl]ethanone
CID 47093446
2-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-phenylphthalazin-1-one
CID 38955216
1-[3-fluoro-4-[4-[[4-(2-fluorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 17487243
1-[3-fluoro-4-[4-[(2S)-2-hydroxy-2-phenylpropyl]piperazin-1-yl]phenyl]ethanone
CID 52518090
N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide
CID 71292346
4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313517
1-[3-fluoro-4-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 26447870
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 34193850
1-[3-fluoro-4-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenyl]ethanone
CID 120847538
1-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 51244446
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 42895178
1-[3-fluoro-4-[4-(2-nitrophenyl)piperazin-1-yl]phenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one?
The IUPAC name of 3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one (CID 56539245) is 3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one?
The canonical SMILES for 3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one is CC(=O)c1ccc(N2CCN(Cn3c(-c4ccccn4)csc3=O)CC2)c(F)c1.
What is the InChIKey of 3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one?
The InChIKey is NWIZRPHSNLCQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2S/c1-15(27)16-5-6-19(17(22)12-16)25-10-8-24(9-11-25)14-26-20(13-29-21(26)28)18-4-2-3-7-23-18/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of 3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one?
3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one has a molecular weight of 412.49 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-4-pyridin-2-yl-1,3-thiazol-2-one is sourced from PubChem (CID 56539245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).